>compound Glycocyamine_Glycocyamine
#instrument UPLC Q-Tof Premier, Waters
>formula C3H7N3O2
#smiles NC(=N)NCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100408.txt;LC-ESI-QTOF_train_data/PR100867.txt
>charge 1
>ionization [M+H]+
>parentmass 118.06162

>collision 5-60
72.0568 291.9
73.0406 61.76
76.0402 282.6
101.0358 267.1
118.0616 533.6

>collision 5-60
74.0261 46.27
115.9213 2.543
116.046 4.563

